CID 16217320

6-aminoflavone

Structural Information

Molecular Formula

C₁₅H₁₁NO₂

SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)N

InChI

InChI=1S/C15H11NO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H,16H2

InChIKey

YWHKBWPNCFDUPQ-UHFFFAOYSA-N

Compound name

6-amino-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 87
Patents: 237.07898 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	238.08626	150.5
[M+Na]+	260.06820	167.5
[M+NH4]+	255.11280	160.2
[M+K]+	276.04214	159.2
[M-H]-	236.07170	158.3
[M+Na-2H]-	258.05365	160.6
[M]+	237.07843	155.4
[M]-	237.07953	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe